3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C12H15N3O3S — CID 29037888

IUPAC3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(C)c(C)c(N)c2)on1
InChIInChI=1S/C12H15N3O3S/c1-7-4-10(6-11(13)9(7)3)19(16,17)15-12-5-8(2)14-18-12/h4-6,15H,13H2,1-3H3
InChIKeyMHOFQDOKOCDBCS-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.98
Rot. Bonds3

About 3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 29037888) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID29037888
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(C)c(C)c(N)c2)on1
InChIInChI=1S/C12H15N3O3S/c1-7-4-10(6-11(13)9(7)3)19(16,17)15-12-5-8(2)14-18-12/h4-6,15H,13H2,1-3H3
InChIKeyMHOFQDOKOCDBCS-UHFFFAOYSA-N
XLogP1.98
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 29037888) is 3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(C)c(C)c(N)c2)on1.
What is the InChIKey of 3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is MHOFQDOKOCDBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-7-4-10(6-11(13)9(7)3)19(16,17)15-12-5-8(2)14-18-12/h4-6,15H,13H2,1-3H3.
What are the key properties of 3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 29037888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).